scholarly journals Ethyl 6-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate

2009 ◽  
Vol 65 (6) ◽  
pp. o1235-o1235
Author(s):  
Hoong-Kun Fun ◽  
Samuel Robinson Jebas ◽  
K. S. Girish ◽  
Balakrishna Kalluraya
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

In the title compound, C22H21ClO4, the cyclohex-3-ene unit adopts an envelope conformation in both independent molecules comprising the asymmetric unit. The two benzene rings are inclined to each other at a dihedral angle of 82.03 (5)° [86.37 (5)°]. In the crystal, the molecules interactviaC—H...O, C—H...Cl and C—H...π interactions.

scholarly journals Crystal structure of (E)-1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethene

2015 ◽  
Vol 71 (5) ◽  
pp. o309-o310
Author(s):  
Zhiwei Chen ◽  
Graeme J. Moxey
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules ◽  
The Individual

The title compound, C18H19I, crystallized with two independent molecules (AandB) in the asymmetric unit. Both molecules have anEconformation about the bridging C=C bond. They differ in the orientation of the two benzene rings; the dihedral angle being 12.3 (5)° in moleculeA, but only 1.0 (6)° in moleculeB. In the crystal, the individual molecules are linked by C—I...π interactions forming zigzagAand zigzagBchains propagating along [001]. The structure was refined as an inversion twin [Flack parameter = 0.48 (2)].

[(Z)-2-(3-Methyl-1,2,4-oxadiazol-5-yl)-2-(1-naphthyl)ethenylamino]formaldehyde oxime 1,4-dioxane hemisolvate

2007 ◽  
Vol 63 (11) ◽  
pp. o4261-o4262
Author(s):  
Kensuke Okuda ◽  
Hiromi Watanabe ◽  
Takashi Hirota ◽  
Kazuma Gotoh ◽  
Hiroyuki Ishida
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Independent Molecules

In the asymmetric unit of the title compound, C16H14N4O2·0.5C4H8O2, there are two crystallographically independent oxime molecules and one solvent molecule. Each oxime molecule has intramolecular N—H...O and N—H...N hydrogen bonds, which make the non-H atoms approximately coplanar except for the naphthyl groups. The two independent molecules are connected to each other by O—H...N hydrogen bonds, forming a dimer. Dimers are linked into a layer through C—H...O, C—H...N and C—H...π interactions. There is π-stacking of approximately parallel oxadiazole rings, with a centroid–centroid distance of 3.6234 (9) Å and a dihedral angle of 8.90 (6)°. Dioxane C and H atoms are disordered over two sites each, with occupancy factors of ca 0.78:0.22.

scholarly journals 9-[3-(Dimethylamino)propyl]-10,10-dimethyl-9,10-dihydroanthracen-9-ol

2013 ◽  
Vol 69 (2) ◽  
pp. o175-o175
Author(s):  
Manpreet Kaur ◽  
Ray J. Butcher ◽  
Mehmet Akkurt ◽  
H. S. Yathirajan ◽  
B. Nagaraj
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Central Ring ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The asymmetric unit of the title compound, C21H27NO, contains two molecules (AandB). In moleculeA, the central ring of the anthrone unit adopts a shallow boat conformation and the dihedral angle between the benzene rings is 18.96 (7)°. In moleculeB, the central ring is close to being planar (r.m.s. deviation = 0.078 Å) and the dihedral angle between the aromatic rings is 7.82 (7)°. In the crystal, molecules are linked by O—H...N hydrogen bonds, forming zigzagC(7) chains of alternatingAandBmolecules running parallel to [100]. The structure also features weak C—H...O and C—H...π interactions.

scholarly journals Crystal structure of 1,4-diethoxy-9,10-anthraquinone

2015 ◽  
Vol 71 (7) ◽  
pp. o504-o505 ◽  
Author(s):  
Chitoshi Kitamura ◽  
Sining Li ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Katsuhiko Ono ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Crystal Packing ◽  
Interplanar Distance ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C18H16O4, contains two crystallographically independent molecules. The anthraquinone ring systems are slightly bent with dihedral angles of 2.33 (8) and 13.31 (9)° between the two terminal benzene rings. In the crystal, the two independent molecules adopt slipped-parallel π-overlap with an average interplanar distance of 3.45 Å, forming a dimer; the centroid–centroid distances of the π–π interactions are 3.6659 (15)–3.8987 (15) Å. The molecules are also linked by C—H...O interactions, forming a tape structure along thea-axis direction. The crystal packing is characterized by a dimer-herringbone pattern.

scholarly journals N′-(2-Hydroxy-3,5-diiodobenzylidene)-2-methoxybenzohydrazide

2009 ◽  
Vol 65 (6) ◽  
pp. o1410-o1410
Author(s):  
San-Jun Peng ◽  
Fen Zhang
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Methanol Solution ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C15H12I2N2O3, was synthesized by the condensation of equimolar amounts of 3,5-diiodosalicylaldehyde and 2-methoxybenzohydrazide in a methanol solution. There are two independent molecules,AandB, in the asymmetric unit. The dihedral angle between the two benzene rings is 30.2 (2)° for moleculeAand 21.7 (2)° for molecule B. There are intramolecular O—H...N and N—H...O hydrogen bonds in each molecule. The crystal studied was an inversion twin with a 0.59 (3):0.41 (3) domain ratio.

5,7-Dimethyl-1,2,4-triazolo[1,5-a]pyrimidine

2006 ◽  
Vol 62 (4) ◽  
pp. o1310-o1311 ◽  
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Hydrogen Bonds ◽  
Least Squares ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
Planar Symmetry

The molecules in the title compound, C7H8N4, are linked into sheets by a combination of C—H...N hydrogen bonds and π–π interactions. The hydrogen bonds generate two-dimensional networks with a C(6) chain motif. There are two planar symmetry-independent molecules in the asymmetric unit, with a dihedral angle of 4.29 (8)° between their least-squares mean planes.

scholarly journals Crystal structure of (E)-4-benzylidene-6-phenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine

2017 ◽  
Vol 73 (7) ◽  
pp. 1092-1096
Author(s):  
Baidaa K. Al-Rubaye ◽  
Alice Brink ◽  
Gary J. Miller ◽  
Herman Potgieter ◽  
Mohamad J. Al-Jeboori
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Title Compound ◽  
Ammonium Acetate ◽  
Molar Ratio ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Independent Molecules

The preparation of the title compound, C26H25N, was achieved by the condensation of an ethanolic mixture of benzaldehyde, cyclohexanone and ammonium acetate in a 2:1:1 molar ratio. There are two crystallographically independent molecules in the asymmetric unit. The two cyclohexyl rings adopt ananti-envelope conformation with the benzyl moiety adopting acisconformation with respect to the nitrogen atom of the phenanthridine segment. In the crystal, molecules are linked through C—H...N interactions into hydrogen-bonded chains that are further arranged into distinct layers by weak offset π–π interactions.

scholarly journals 2,4-Dichloro-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone

IUCrData ◽  
2019 ◽  
Vol 4 (10) ◽  
Author(s):  
Tarun Kumar Pal ◽  
Md Ashraful Alam ◽  
Md Dulal Hossain ◽  
Subrata Paul ◽  
Ryuta Miyatake ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C14H11Cl2NO2, has been prepared by the condensation of 3,5-dichlorosalicylaldehyde and 2-amino-4-methylphenol. The asymmetric unit consists of two independent molecules, both of which are almost planar; the dihedral angle between the two benzene rings is 10.61 (8)° for one molecule and 2.46 (8)° for the other. There is an intramolecular N—H...O hydrogen bond that generates S(6) ring motifs in each molecule. In the crystal, the two independent molecules are linked by O—H...O and C—H...Cl hydrogen bonds, forming a pseudo-inversion dimer. A π–π interaction, with a centroid–centroid distance of 3.6065 (12) Å, is also observed.

scholarly journals (E)-2-(3-Oxo-3-phenylprop-1-enyl)thiophene-3-carbaldehyde

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
K. Elumalai ◽  
R. Raja ◽  
Jayachandran Karunakaran ◽  
Arasambattu K. Mohanakrishnan ◽  
K. Sakthi Murugesan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Thiophene Ring ◽  
Asymmetric Unit ◽  
Envelope Conformation ◽  
Compound C ◽  
Independent Molecules ◽  
Graph Motif

The title compound, C14H10O2S, crystallizes with two independent molecules (A and B) in the asymmetric unit. They have very similar conformations with the thiophene ring having an envelope conformation in both molecules. In molecule A, the benzene and thiophene rings makes a dihedral angle of 11.01 (9)°. The corresponding angle in molecule B is 9.58 (9)°. In the crystal, molecules are linked via pairs of C—H...O hydrogen bonds, forming dimers with an R 2 2(18)set-graph motif. The dimers are linked via C—H...O hydrogen bonds, forming slabs lying parallel to (100).

scholarly journals 4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione

2014 ◽  
Vol 70 (8) ◽  
pp. o881-o882
Author(s):  
Cai-Xia Yuan ◽  
Shu-Fen Lan ◽  
Xin-Yu Liu ◽  
Miao-Li Zhu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C11H11BrN4OS, crystallized as a racemic twin with two symmetry-independent molecules in the asymmetric unit. The dihedral angles between the benzene and triazole rings of the two independent molecules are 56.41 (18) and 54.48 (18)°. An intramolecular O—H...N hydrogen bond occurs in each molecule. In the crystal, pairs of symmetry-independent molecules are linked by pairs of almost linear N—H...S hydrogen bonds, forming cyclic dimers characterized by anR22(8) motif. There are weak π–π interactions between the benzene rings of symmetry-independent molecules, with a centroid–centroid distance of 3.874 (3) Å.

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